4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide

C17H28N4O2S — CID 86929857

IUPAC4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C17H28N4O2S/c1-11(2)15-19-13(4)14(17(20-15)24-5)16(22)18-10-12(3)21-6-8-23-9-7-21/h11-12H,6-10H2,1-5H3,(H,18,22)
InChIKeyIEWDAWHZYFUOFA-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.08
Rot. Bonds6

About 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide

4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 86929857) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID86929857
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)NCC(C)N1CCOCC1
InChIInChI=1S/C17H28N4O2S/c1-11(2)15-19-13(4)14(17(20-15)24-5)16(22)18-10-12(3)21-6-8-23-9-7-21/h11-12H,6-10H2,1-5H3,(H,18,22)
InChIKeyIEWDAWHZYFUOFA-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847831
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847828
4-methyl-N-(4-methylpentyl)-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 86927368
4-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78861814
5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087
2-(furan-2-yl)-4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 134048125
3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62676218
4,5-dimethyl-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 47168421
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 87001149
4-methyl-N-[1-(4-methylphenyl)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78852741
2-amino-N-(2-morpholin-4-ylpropyl)acetamide
CID 83620199
2-methyl-N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 102248451

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide (CID 86929857) is 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide is CSc1nc(C(C)C)nc(C)c1C(=O)NCC(C)N1CCOCC1.
What is the InChIKey of 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is IEWDAWHZYFUOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-11(2)15-19-13(4)14(17(20-15)24-5)16(22)18-10-12(3)21-6-8-23-9-7-21/h11-12H,6-10H2,1-5H3,(H,18,22).
What are the key properties of 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide?
4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 86929857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).